N-(2,5-dichlorophenyl)-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]acetamide

C20H18Cl2F3N5O — CID 1469657

IUPACN-(2,5-dichlorophenyl)-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]acetamide
SMILESO=C(CN1CCC(n2nnc3cc(C(F)(F)F)ccc32)CC1)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C20H18Cl2F3N5O/c21-13-2-3-15(22)16(10-13)26-19(31)11-29-7-5-14(6-8-29)30-18-4-1-12(20(23,24)25)9-17(18)27-28-30/h1-4,9-10,14H,5-8,11H2,(H,26,31)
InChIKeyUSJOFZAZPOINFV-UHFFFAOYSA-N
MW472.30 g/mol
LogP5.03
Rot. Bonds4

About N-(2,5-dichlorophenyl)-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]acetamide

N-(2,5-dichlorophenyl)-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]acetamide (PubChem CID 1469657) has the molecular formula C20H18Cl2F3N5O and a molecular weight of 472.30 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]acetamide
PubChem CID1469657
Molecular FormulaC20H18Cl2F3N5O
Molecular Weight472.30 g/mol
Exact Mass471.08
IUPAC NameN-(2,5-dichlorophenyl)-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]acetamide
SMILESO=C(CN1CCC(n2nnc3cc(C(F)(F)F)ccc32)CC1)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C20H18Cl2F3N5O/c21-13-2-3-15(22)16(10-13)26-19(31)11-29-7-5-14(6-8-29)30-18-4-1-12(20(23,24)25)9-17(18)27-28-30/h1-4,9-10,14H,5-8,11H2,(H,26,31)
InChIKeyUSJOFZAZPOINFV-UHFFFAOYSA-N
XLogP5.03
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.30
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-Indan-5-yl-2-[4-(5-trifluoromethyl-benzotriazol-1-yl)-piperidin-1-yl]-acetamide
CID 1469680
N-[(2-fluorophenyl)methyl]-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetamide
CID 1469777
2-[4-(5-Methyl-benzotriazol-1-yl)-piperidin-1-yl]-N-phenethyl-acetamide
CID 645287
N-(4-Fluoro-phenyl)-2-[4-(5-methyl-benzotriazol-1-yl)-piperidin-1-yl]-acetamide
CID 1469735
2-(benzotriazol-1-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 1132576
N-(Prop-2-EN-1-YL)-2-{4-[5-(trifluoromethyl)-1,2,3-benzotriazol-1-YL]piperidin-1-YL}acetamide
CID 3219947
N-[4-(Pyrrolidin-1-YL)phenyl]-2-{4-[5-(trifluoromethyl)-1,2,3-benzotriazol-1-YL]piperidin-1-YL}acetamide
CID 3229059
2-[4-(1,2,3-Benzotriazol-1-YL)piperidin-1-YL]-N-(2-chlorophenyl)acetamide
CID 1469617
2-[4-(5-Methyl-1,2,3-benzotriazol-1-YL)piperidin-1-YL]-N-[(4-methylphenyl)methyl]acetamide
CID 1469779
2-[4-(1,2,3-Benzotriazol-1-YL)piperidin-1-YL]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 1469550
2-[4-(1,2,3-Benzotriazol-1-YL)piperidin-1-YL]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 1469552
2-[4-(benzotriazol-1-yl)piperidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 1469563

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]acetamide?
The IUPAC name of N-(2,5-dichlorophenyl)-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]acetamide (CID 1469657) is N-(2,5-dichlorophenyl)-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]acetamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]acetamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]acetamide is O=C(CN1CCC(n2nnc3cc(C(F)(F)F)ccc32)CC1)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of N-(2,5-dichlorophenyl)-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]acetamide?
The InChIKey is USJOFZAZPOINFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2F3N5O/c21-13-2-3-15(22)16(10-13)26-19(31)11-29-7-5-14(6-8-29)30-18-4-1-12(20(23,24)25)9-17(18)27-28-30/h1-4,9-10,14H,5-8,11H2,(H,26,31).
What are the key properties of N-(2,5-dichlorophenyl)-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]acetamide?
N-(2,5-dichlorophenyl)-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]acetamide has a molecular weight of 472.30 g/mol, XLogP of 5.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]acetamide is sourced from PubChem (CID 1469657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).